input word = C00032823

Metabolite InformationStructural formula
Name Cilistol y
(+)-Cilistol y
Formula C28H42O9S
Mw 554.25495367
CAS RN 331965-11-8
C_ID C00032823 ,
InChIKey VTQFJNSLWZXKRT-YBWILCNINA-N
InChICode InChI=1S/C28H42O9S/c1-15(21-14-25(3)27(5,37-25)23(30)35-21)28(31)11-9-19-18-7-6-16-12-17(36-38(32,33)34)13-22(29)26(16,4)20(18)8-10-24(19,28)2/h6,15,17-21,23,30-31H,7-14H2,1-5H3,(H,32,33,34)/t15-,17-,18+,19+,20+,21-,23-,24+,25+,26+,27-,28+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1=O)C)CC[C@]1([C@H]3CC[C@@]1([C@@H]([C@@H]1O[C@H]([C@@]2([C@](C1)(O2)C)C)O)C)O)C)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum cilistum Ref.
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